8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

C15H19F2NO2 — CID 74231763

IUPAC8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1COC2(CCN(Cc3cc(F)cc(F)c3)CC2)C1
InChIInChI=1S/C15H19F2NO2/c16-12-5-11(6-13(17)7-12)9-18-3-1-15(2-4-18)8-14(19)10-20-15/h5-7,14,19H,1-4,8-10H2
InChIKeyXUVURXAMGAXOMX-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.08
Rot. Bonds2

About 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 74231763) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID74231763
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1COC2(CCN(Cc3cc(F)cc(F)c3)CC2)C1
InChIInChI=1S/C15H19F2NO2/c16-12-5-11(6-13(17)7-12)9-18-3-1-15(2-4-18)8-14(19)10-20-15/h5-7,14,19H,1-4,8-10H2
InChIKeyXUVURXAMGAXOMX-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 74231763) is 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is OC1COC2(CCN(Cc3cc(F)cc(F)c3)CC2)C1.
What is the InChIKey of 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is XUVURXAMGAXOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-12-5-11(6-13(17)7-12)9-18-3-1-15(2-4-18)8-14(19)10-20-15/h5-7,14,19H,1-4,8-10H2.
What are the key properties of 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 283.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 74231763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).